(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-hydroxy-butyric acid Formula: C45H77N11O13 MolecularWeight: 980.15878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)O

InChI

InChI=1S/C45H77N11O13/c1-23(2)20-33(53-39(62)30(48)21-28-14-16-29(59)17-15-28)42(65)55-35(24(3)4)43(66)52-32(13-9-11-19-47)41(64)51-31(12-8-10-18-46)40(63)49-22-34(60)54-36(26(6)57)44(67)50-25(5)38(61)56-37(27(7)58)45(68)69/h14-17,23-27,30-33,35-37,57-59H,8-13,18-22,46-48H2,1-7H3,(H,49,63)(H,50,67)(H,51,64)(H,52,66)(H,53,62)(H,54,60)(H,55,65)(H,56,61)(H,68,69)/t25-,26+,27+,30-,31-,32-,33-,35-,36-,37-/m0/s1